1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine

C18H21ClN2O2 — CID 18545431

IUPAC1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine
SMILESCOc1ccc(COc2cc(Cl)cc(N3CCNCC3)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-22-17-4-2-14(3-5-17)13-23-18-11-15(19)10-16(12-18)21-8-6-20-7-9-21/h2-5,10-12,20H,6-9,13H2,1H3
InChIKeyLMKFQVCHWHSRDE-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.34
Rot. Bonds5

About 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine

1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine (PubChem CID 18545431) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine.

Molecular Properties

Compound Name1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine
PubChem CID18545431
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine
SMILESCOc1ccc(COc2cc(Cl)cc(N3CCNCC3)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-22-17-4-2-14(3-5-17)13-23-18-11-15(19)10-16(12-18)21-8-6-20-7-9-21/h2-5,10-12,20H,6-9,13H2,1H3
InChIKeyLMKFQVCHWHSRDE-UHFFFAOYSA-N
XLogP3.34
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine?
The IUPAC name of 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine (CID 18545431) is 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine.
What is the SMILES notation for 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine?
The canonical SMILES for 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine is COc1ccc(COc2cc(Cl)cc(N3CCNCC3)c2)cc1.
What is the InChIKey of 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine?
The InChIKey is LMKFQVCHWHSRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-22-17-4-2-14(3-5-17)13-23-18-11-15(19)10-16(12-18)21-8-6-20-7-9-21/h2-5,10-12,20H,6-9,13H2,1H3.
What are the key properties of 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine?
1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine has a molecular weight of 332.83 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine is sourced from PubChem (CID 18545431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).